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125593-63-7 | Benzenepropanol, 2-bromo-4,5-dimethoxy-
CAS No: 125593-63-7 Catalog No: AG000NXC MDL No:
Product Description
Catalog Number:
AG000NXC
Chemical Name:
Benzenepropanol, 2-bromo-4,5-dimethoxy-
CAS Number:
125593-63-7
Molecular Formula:
C11H15BrO3
Molecular Weight:
275.1390
IUPAC Name:
3-(2-bromo-4,5-dimethoxyphenyl)propan-1-ol
InChI:
InChI=1S/C11H15BrO3/c1-14-10-6-8(4-3-5-13)9(12)7-11(10)15-2/h6-7,13H,3-5H2,1-2H3
InChI Key:
KMGLJFHMSMVHGC-UHFFFAOYSA-N
SMILES:
OCCCc1cc(OC)c(cc1Br)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.142g/mol
Monoisotopic Mass:
274.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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